COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.792   0.538   0.004  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.992   1.688   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.632   2.948  -0.002  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.990   3.035  -0.001  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.775   1.890   0.003  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.181   0.648   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.322   0.171   0.002  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.933  -0.298   0.002  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.669  -1.619   0.005  1.00  0.00           C  
HETATM   10  C   UNL     1       6.154   1.796  -0.007  1.00  0.00           C  
HETATM   11  C   UNL     1       6.740   0.525   0.002  1.00  0.00           C  
HETATM   12  C   UNL     1       8.151   0.438   0.008  1.00  0.00           C  
HETATM   13  C   UNL     1       8.913   1.565   0.004  1.00  0.00           C  
HETATM   14  C   UNL     1       8.323   2.822  -0.005  1.00  0.00           C  
HETATM   15  C   UNL     1       6.951   2.939  -0.010  1.00  0.00           C  
HETATM   16  C   UNL     1       4.586  -0.148  -0.002  1.00  0.00           C  
HETATM   17  C   UNL     1       3.478  -1.107   0.001  1.00  0.00           C  
HETATM   18  C   UNL     1       2.205  -0.666   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.356  -3.004   0.006  1.00  0.00           C  
HETATM   20  C   UNL     1       1.092  -1.629   0.003  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.226  -1.173   0.002  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.275  -2.091   0.005  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.997  -3.468   0.009  1.00  0.00           C  
HETATM   24  C   UNL     1       0.318  -3.910   0.009  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.014  -4.365   0.012  1.00  0.00           O  
HETATM   26  S   UNL     1       4.403   1.601  -0.006  1.00  0.00           S  
HETATM   27  S   UNL     1      -5.737  -0.873   0.007  1.00  0.00           S  
HETATM   28  N   UNL     1       5.841  -0.466   0.004  1.00  0.00           N1+
HETATM   29  N   UNL     1      -4.683   1.415  -0.001  1.00  0.00           N1+
HETATM   30  C   UNL     1       6.264  -1.869   0.013  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.688   2.490  -0.005  1.00  0.00           C  
HETATM   32  H   UNL     1      -6.038   3.851  -0.005  1.00  0.00           H  
HETATM   33  H   UNL     1      -8.463   4.005  -0.003  1.00  0.00           H  
HETATM   34  H   UNL     1      -9.852   1.973   0.005  1.00  0.00           H  
HETATM   35  H   UNL     1      -8.792  -0.243   0.003  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.122   0.415   0.000  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.480  -2.332   0.008  1.00  0.00           H  
HETATM   38  H   UNL     1       8.628  -0.531   0.015  1.00  0.00           H  
HETATM   39  H   UNL     1       9.990   1.482   0.010  1.00  0.00           H  
HETATM   40  H   UNL     1       8.941   3.708  -0.007  1.00  0.00           H  
HETATM   41  H   UNL     1       6.493   3.917  -0.013  1.00  0.00           H  
HETATM   42  H   UNL     1       3.682  -2.168   0.004  1.00  0.00           H  
HETATM   43  H   UNL     1       2.002   0.395  -0.003  1.00  0.00           H  
HETATM   44  H   UNL     1       2.377  -3.356   0.002  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.433  -0.113   0.000  1.00  0.00           H  
HETATM   46  H   UNL     1       0.528  -4.970   0.008  1.00  0.00           H  
HETATM   47  H   UNL     1       6.365  -2.211   1.043  1.00  0.00           H  
HETATM   48  H   UNL     1       5.518  -2.476  -0.501  1.00  0.00           H  
HETATM   49  H   UNL     1       7.223  -1.962  -0.497  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.439   2.759   1.022  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.788   2.150  -0.519  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.094   3.359  -0.521  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.310  -4.628  -0.870  1.00  0.00           H  
CONECT    1    2    2    6   27                                       
CONECT    2    3   29    1    1                                       
CONECT    3    4    4    2   32                                       
CONECT    4    3    3    5   33                                       
CONECT    5    4    6    6   34                                       
CONECT    6    5    5    1   35                                       
CONECT    7   29   29   27    8                                       
CONECT    8    7    9    9   36                                       
CONECT    9    8    8   22   37                                       
CONECT   10   11   11   15   26                                       
CONECT   11   12   28   10   10                                       
CONECT   12   13   13   11   38                                       
CONECT   13   12   12   14   39                                       
CONECT   14   13   15   15   40                                       
CONECT   15   14   14   10   41                                       
CONECT   16   28   28   17   26                                       
CONECT   17   18   18   16   42                                       
CONECT   18   20   17   17   43                                       
CONECT   19   20   20   24   44                                       
CONECT   20   21   18   19   19                                       
CONECT   21   22   22   20   45                                       
CONECT   22    9   21   21   23                                       
CONECT   23   22   25   24   24                                       
CONECT   24   23   23   19   46                                       
CONECT   25   23   53                                                 
CONECT   26   16   10                                                 
CONECT   27    1    7                                                 
CONECT   28   30   11   16   16                                       
CONECT   29    2   31    7    7                                       
CONECT   30   28   47   48   49                                       
CONECT   31   29   50   51   52                                       
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   21                                                      
CONECT   46   24                                                      
CONECT   47   30                                                      
CONECT   48   30                                                      
CONECT   49   30                                                      
CONECT   50   31                                                      
CONECT   51   31                                                      
CONECT   52   31                                                      
CONECT   53   25                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
